#!/bin/sh
#$ -cwd
#$ -V -S /bin/bash
####$ -V -S /bin/zsh
#$ -N NaCl_CrySPY_ID
#$ -pe smp 8
####$ -q ibis1.q
####$ -q ibis2.q

mpirun -np $NSLOTS pw.x -nk 4 -nb 2 < pwscf.in > pwscf.out


if [ -e "CRASH" ]; then
    exit 1
fi

sed -i -e '3 s/^.*$/done/' stat_job
